SCHEMBL1962066

SCHEMBL1962066

CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Nc3ccc(C(=O)Nc4ccc(B5OC(C)(C)C(C)(C)O5)c(C)c4)cc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HDAC3 O15379 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
CYP2C9 P11712 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
DEGS1 O15121 1/20 0.38
CXCR2 P25025 1/20 0.38
LDLR P01130 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK14 Q16539 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1962070 1.00 MAPT (0.44) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL1961233 0.97 ALDH1A1 (0.42) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL1961254 0.94 ALDH1A1 (0.42) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL1961256 0.94 ALDH1A1 (0.42) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL1962051 0.88 MAPT (0.42) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL1963458 0.87 MAPK14 (0.41) MAPTCA1CA2CA9CXCR2
SCHEMBL1963455 0.87 MAPK14 (0.41) MAPTCA1CA2CA9CXCR2
SCHEMBL1531906 0.87 CA1 (0.51) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL16011399 0.87 CA1 (0.51) MAPTALDH1A1LMNAHDAC3HDAC11
SCHEMBL1962064 0.87 CA1 (0.51) MAPTALDH1A1LMNAHDAC3HDAC11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 EP disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 EP disclosed
EP-2652553-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
WO-2012082383-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20110143141-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110143141-A1 Photochromic compounds and compositions CCNA1, CRY1, CCNT1 MAPT 785/4885ALDH1A1 43/4885LMNA 230/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.